Large-scale computational molecular models provide scientists a means to investigate the
effect of microscopic details on emergent mesoscopic behavior. Elucidating the relationship …

The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing
an important role in areas such as climate change and the production of drugs. As the early …

The hypothesis that water has a second critical point at deeply supercooled conditions was
formulated to provide a thermodynamically consistent interpretation of numerous …

Water freezing is ubiquitous and affects areas as diverse as climate, the chemical industry,
cryobiology and materials science. Ice nucleation is the controlling step in water freezing …

Molecular simulations have provided valuable insight into the microscopic mechanisms
underlying homogeneous ice nucleation. While empirical models have been used …

Water is the most abundant liquid on earth and also the substance with the largest number
of anomalies in its properties. It is a prerequisite for life and as such a most important subject …

High-temperature metastable phases exhibit superior characteristics compared to those of
thermodynamically stable phases at room temperature. Although optimization of the …

Two or more liquid states may exist even for single-component substances, which is known
as liquid polymorphism, and the transition between them is called liquid–liquid transition …

Some low-coordination materials, including water, silica, and silicon, exhibit polyamorphism,
having multiple amorphous forms. However, the microscopic mechanism and kinetic …

Polyhedron packings have fascinated humans for centuries and continue to inspire
scientists of modern disciplines. Despite extensive computer simulations and a handful of …